============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 14 rings ring int. center anis. iso. PHE 10 1.000 130.378 -1.966 0.041 -99.200 -91.000 PHE 31 1.000 124.155 -2.887 22.712 -99.200 -91.000 TRP 42 1.040 134.463 -6.734 15.619 -99.200 -91.000 TRP6 42 1.020 132.214 -6.273 16.185 -99.200 -91.000 TRP 51 1.040 127.453 0.752 8.809 -99.200 -91.000 TRP6 51 1.020 127.230 3.069 8.414 -99.200 -91.000 HIS 53 0.900 121.136 -0.425 10.501 -99.200 -91.000 PHE 61 1.000 119.718 -2.107 24.068 -99.200 -91.000 PHE 70 1.000 129.111 2.985 18.339 -99.200 -91.000 PHE 72 1.000 121.259 10.059 17.847 -99.200 -91.000 HIS 73 0.900 124.547 7.615 8.229 -99.200 -91.000 HIS 74 0.900 119.626 6.736 8.518 -99.200 -91.000 TRP 85 1.040 136.410 6.564 9.891 -99.200 -91.000 TRP6 85 1.020 138.561 7.399 10.426 -99.200 -91.000